DAMASK_EICMD/src/grid/DAMASK_grid.f90

515 lines
24 KiB
Fortran

!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results
!--------------------------------------------------------------------------------------------------
program DAMASK_grid
#include <petsc/finclude/petscsys.h>
use PETScSys
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
use MPI_f08
#endif
use prec
use parallelization
use DAMASK_interface
use IO
use config
use math
use CPFEM2
use material
use spectral_utilities
use grid_mechanical_spectral_basic
use grid_mechanical_spectral_polarisation
use grid_mechanical_FEM
use grid_damage_spectral
use grid_thermal_spectral
use results
implicit none
type :: tLoadCase
type(rotation) :: rot !< rotation of BC
type(tBoundaryCondition) :: stress, & !< stress BC
deformation !< deformation BC (dot_F, F, or L)
real(pReal) :: t, & !< length of increment
r !< ratio of geometric progression
integer :: N, & !< number of increments
f_out, & !< frequency of result writes
f_restart !< frequency of restart writes
logical :: estimate_rate !< follow trajectory of former loadcase
end type tLoadCase
!--------------------------------------------------------------------------------------------------
! field labels information
enum, bind(c); enumerator :: &
FIELD_UNDEFINED_ID, &
FIELD_MECH_ID, &
FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID
end enum
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal), dimension(3,3), parameter :: &
ones = 1.0_pReal, &
zeros = 0.0_pReal
integer, parameter :: &
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
real(pReal) :: &
t = 0.0_pReal, & !< elapsed time
t_0 = 0.0_pReal, & !< begin of interval
Delta_t = 1.0_pReal, & !< current time interval
Delta_t_prev = 0.0_pReal, & !< previous time interval
t_remaining = 0.0_pReal !< remaining time of current load case
logical :: &
guess, & !< guess along former trajectory
stagIterate, &
cutBack = .false.,&
signal
integer :: &
i, j, m, field, &
errorID = 0, &
ierr,&
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0, & !< fraction of current time interval
l = 0, & !< current load case
inc, & !< current increment in current load case
totalIncsCounter = 0, & !< total # of increments
statUnit = 0, & !< file unit for statistics output
stagIter, &
nActiveFields = 0, &
maxCutBack, & !< max number of cut backs
stagItMax !< max number of field level staggered iterations
character(len=pStringLen) :: &
incInfo
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState), allocatable, dimension(:) :: solres
procedure(grid_mechanical_spectral_basic_init), pointer :: &
mechanical_init
procedure(grid_mechanical_spectral_basic_forward), pointer :: &
mechanical_forward
procedure(grid_mechanical_spectral_basic_solution), pointer :: &
mechanical_solution
procedure(grid_mechanical_spectral_basic_updateCoords), pointer :: &
mechanical_updateCoords
procedure(grid_mechanical_spectral_basic_restartWrite), pointer :: &
mechanical_restartWrite
external :: &
quit
class (tNode), pointer :: &
num_grid, &
config_load, &
load_steps, &
load_step, &
solver, &
initial_conditions, &
thermal, &
step_bc, &
step_mech, &
step_discretization
character(len=:), allocatable :: &
fileContent, fname
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
print'(/,1x,a)', '<<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks
num_grid => config_numerics%get('grid', defaultVal=emptyDict)
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
if (worldrank == 0) then
fileContent = IO_read(interface_loadFile)
fname = interface_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)')
call results_closeJobFile
endif
call parallelization_bcast_str(fileContent)
config_load => YAML_parse_str(fileContent)
solver => config_load%get('solver')
!--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type
nActiveFields = 1
select case (solver%get_asString('mechanical'))
case ('spectral_basic')
mechanical_init => grid_mechanical_spectral_basic_init
mechanical_forward => grid_mechanical_spectral_basic_forward
mechanical_solution => grid_mechanical_spectral_basic_solution
mechanical_updateCoords => grid_mechanical_spectral_basic_updateCoords
mechanical_restartWrite => grid_mechanical_spectral_basic_restartWrite
case ('spectral_polarization')
mechanical_init => grid_mechanical_spectral_polarisation_init
mechanical_forward => grid_mechanical_spectral_polarisation_forward
mechanical_solution => grid_mechanical_spectral_polarisation_solution
mechanical_updateCoords => grid_mechanical_spectral_polarisation_updateCoords
mechanical_restartWrite => grid_mechanical_spectral_polarisation_restartWrite
case ('FEM')
mechanical_init => grid_mechanical_FEM_init
mechanical_forward => grid_mechanical_FEM_forward
mechanical_solution => grid_mechanical_FEM_solution
mechanical_updateCoords => grid_mechanical_FEM_updateCoords
mechanical_restartWrite => grid_mechanical_FEM_restartWrite
case default
call IO_error(error_ID = 891, ext_msg = trim(solver%get_asString('mechanical')))
end select
!--------------------------------------------------------------------------------------------------
! initialize field solver information
if (solver%get_asString('thermal',defaultVal = 'n/a') == 'spectral') nActiveFields = nActiveFields + 1
if (solver%get_asString('damage', defaultVal = 'n/a') == 'spectral') nActiveFields = nActiveFields + 1
allocate(solres(nActiveFields))
allocate( ID(nActiveFields))
field = 1
ID(field) = FIELD_MECH_ID ! mechanical active by default
thermalActive: if (solver%get_asString('thermal',defaultVal = 'n/a') == 'spectral') then
field = field + 1
ID(field) = FIELD_THERMAL_ID
endif thermalActive
damageActive: if (solver%get_asString('damage',defaultVal = 'n/a') == 'spectral') then
field = field + 1
ID(field) = FIELD_DAMAGE_ID
endif damageActive
!--------------------------------------------------------------------------------------------------
load_steps => config_load%get('loadstep')
allocate(loadCases(load_steps%length)) ! array of load cases
do l = 1, load_steps%length
load_step => load_steps%get(l)
step_bc => load_step%get('boundary_conditions')
step_mech => step_bc%get('mechanical')
loadCases(l)%stress%myType=''
readMech: do m = 1, step_mech%length
select case (step_mech%getKey(m))
case ('L','dot_F','F') ! assign values for the deformation BC matrix
loadCases(l)%deformation%myType = step_mech%getKey(m)
call getMaskedTensor(loadCases(l)%deformation%values,loadCases(l)%deformation%mask,step_mech%get(m))
case ('dot_P','P')
loadCases(l)%stress%myType = step_mech%getKey(m)
call getMaskedTensor(loadCases(l)%stress%values,loadCases(l)%stress%mask,step_mech%get(m))
end select
call loadCases(l)%rot%fromAxisAngle(step_mech%get_as1dFloat('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
enddo readMech
if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/dot_F/F missing')
step_discretization => load_step%get('discretization')
if (.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
if (.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
loadCases(l)%t = step_discretization%get_asFloat('t')
loadCases(l)%N = step_discretization%get_asInt ('N')
loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
loadCases(l)%f_restart = load_step%get_asInt('f_restart', defaultVal=huge(0))
if (load_step%get_asString('f_out',defaultVal='n/a') == 'none') then
loadCases(l)%f_out = huge(0)
else
loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1)
end if
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. l>1)
reportAndCheck: if (worldrank == 0) then
print'(/,1x,a,1x,i0)', 'load case:', l
print'(2x,a,1x,l1)', 'estimate_rate:', loadCases(l)%estimate_rate
if (loadCases(l)%deformation%myType == 'F') then
print'(2x,a)', 'F:'
else
print'(2x,a)', loadCases(l)%deformation%myType//' / 1/s:'
end if
do i = 1, 3; do j = 1, 3
if (loadCases(l)%deformation%mask(i,j)) then
write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
else
write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%deformation%values(i,j)
endif
enddo; write(IO_STDOUT,'(/)',advance='no')
enddo
if (any(loadCases(l)%stress%mask .eqv. loadCases(l)%deformation%mask)) errorID = 831
if (any(.not.(loadCases(l)%stress%mask .or. transpose(loadCases(l)%stress%mask)) .and. (math_I3<1))) &
errorID = 838 ! no rotation is allowed by stress BC
if (loadCases(l)%stress%myType == 'P') print'(2x,a)', 'P / MPa:'
if (loadCases(l)%stress%myType == 'dot_P') print'(2x,a)', 'dot_P / MPa/s:'
if (loadCases(l)%stress%myType /= '') then
do i = 1, 3; do j = 1, 3
if (loadCases(l)%stress%mask(i,j)) then
write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
else
write(IO_STDOUT,'(2x,f12.4)',advance='no') loadCases(l)%stress%values(i,j)*1e-6_pReal
endif
enddo; write(IO_STDOUT,'(/)',advance='no')
enddo
endif
if (any(dNeq(loadCases(l)%rot%asMatrix(), math_I3))) &
write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'R:',&
transpose(loadCases(l)%rot%asMatrix())
if (loadCases(l)%r <= 0.0) errorID = 833
if (loadCases(l)%t < 0.0_pReal) errorID = 834
if (loadCases(l)%N < 1) errorID = 835
if (loadCases(l)%f_out < 1) errorID = 836
if (loadCases(l)%f_restart < 1) errorID = 839
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then
print'(2x,a)', 'r: 1 (constant step width)'
else
print'(2x,a,1x,f0.3)', 'r:', loadCases(l)%r
endif
print'(2x,a,1x,f0.3)', 't:', loadCases(l)%t
print'(2x,a,1x,i0)', 'N:', loadCases(l)%N
if (loadCases(l)%f_out < huge(0)) &
print'(2x,a,1x,i0)', 'f_out:', loadCases(l)%f_out
if (loadCases(l)%f_restart < huge(0)) &
print'(2x,a,1x,i0)', 'f_restart:', loadCases(l)%f_restart
if (errorID > 0) call IO_error(error_ID = errorID, el = l)
endif reportAndCheck
enddo
!--------------------------------------------------------------------------------------------------
! doing initialization depending on active solvers
call spectral_Utilities_init
do field = 1, nActiveFields
select case (ID(field))
case(FIELD_MECH_ID)
call mechanical_init
case(FIELD_THERMAL_ID)
initial_conditions => config_load%get('initial_conditions',defaultVal=emptyDict)
thermal => initial_conditions%get('thermal',defaultVal=emptyDict)
call grid_thermal_spectral_init(thermal%get_asFloat('T'))
case(FIELD_DAMAGE_ID)
call grid_damage_spectral_init
end select
enddo
!--------------------------------------------------------------------------------------------------
! write header of output file
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
else writeHeader
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD')
endif writeHeader
endif
writeUndeformed: if (interface_restartInc < 1) then
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
endif writeUndeformed
loadCaseLooping: do l = 1, size(loadCases)
t_0 = t ! load case start time
guess = loadCases(l)%estimate_rate ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(l)%N
totalIncsCounter = totalIncsCounter + 1
!--------------------------------------------------------------------------------------------------
! forwarding time
Delta_t_prev = Delta_t ! last time intervall that brought former inc to an end
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then ! linear scale
Delta_t = loadCases(l)%t/real(loadCases(l)%N,pReal)
else
Delta_t = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
/ (1.0_pReal-loadCases(l)%r**loadCases(l)%N)
endif
Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
t = t + Delta_t ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
t_remaining = loadCases(l)%t + t_0 - t
t = t + Delta_t ! forward target time
stepFraction = stepFraction + 1 ! count step
!--------------------------------------------------------------------------------------------------
! report begin of new step
print'(/,1x,a)', '###########################################################################'
print'(1x,a,1x,es12.5,6(a,i0))', &
'Time', t, &
's: Increment ', inc,'/',loadCases(l)%N,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
' of load case ', l,'/',size(loadCases)
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%N),&
'-', stepFraction,'/',subStepFactor**cutBackLevel
flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! forward fields
do field = 1, nActiveFields
select case(ID(field))
case(FIELD_MECH_ID)
call mechanical_forward (&
cutBack,guess,Delta_t,Delta_t_prev,t_remaining, &
deformation_BC = loadCases(l)%deformation, &
stress_BC = loadCases(l)%stress, &
rotation_BC = loadCases(l)%rot)
case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack)
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
end select
enddo
if (.not. cutBack) call CPFEM_forward
!--------------------------------------------------------------------------------------------------
! solve fields
stagIter = 0
stagIterate = .true.
do while (stagIterate)
do field = 1, nActiveFields
select case(ID(field))
case(FIELD_MECH_ID)
solres(field) = mechanical_solution(incInfo)
case(FIELD_THERMAL_ID)
solres(field) = grid_thermal_spectral_solution(Delta_t)
case(FIELD_DAMAGE_ID)
solres(field) = grid_damage_spectral_solution(Delta_t)
end select
if (.not. solres(field)%converged) exit ! no solution found
enddo
stagIter = stagIter + 1
stagIterate = stagIter < stagItMax &
.and. all(solres(:)%converged) &
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo
!--------------------------------------------------------------------------------------------------
! check solution for either advance or retry
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found
call mechanical_updateCoords
Delta_t_prev = Delta_t
cutBack = .false.
guess = .true. ! start guessing after first converged (sub)inc
if (worldrank == 0) then
write(statUnit,*) totalIncsCounter, t, cutBackLevel, &
solres(1)%converged, solres(1)%iterationsNeeded
flush(statUnit)
endif
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
cutBack = .true.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1
t = t - Delta_t
Delta_t = Delta_t/real(subStepFactor,pReal) ! cut timestep
print'(/,1x,a)', 'cutting back '
else ! no more options to continue
if (worldrank == 0) close(statUnit)
call IO_error(950)
endif
enddo subStepLooping
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' converged'
else
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
call MPI_Allreduce(interface_SIGUSR1,signal,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
if (ierr /= 0) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_out) == 0 .or. signal) then
print'(/,1x,a)', '... writing results to file ...............................................'
flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,t)
endif
if (signal) call interface_setSIGUSR1(.false.)
call MPI_Allreduce(interface_SIGUSR2,signal,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
if (ierr /= 0) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_restart) == 0 .or. signal) then
call mechanical_restartWrite
call CPFEM_restartWrite
endif
if (signal) call interface_setSIGUSR2(.false.)
call MPI_Allreduce(interface_SIGTERM,signal,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
if (ierr /= 0) error stop 'MPI error'
if (signal) exit loadCaseLooping
endif skipping
enddo incLooping
enddo loadCaseLooping
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
print'(/,1x,a)', '###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)
contains
subroutine getMaskedTensor(values,mask,tensor)
real(pReal), intent(out), dimension(3,3) :: values
logical, intent(out), dimension(3,3) :: mask
class (tNode), pointer :: tensor
class (tNode), pointer :: row
integer :: i,j
values = 0.0
do i = 1,3
row => tensor%get(i)
do j = 1,3
mask(i,j) = row%get_asString(j) == 'x'
if (.not. mask(i,j)) values(i,j) = row%get_asFloat(j)
enddo
enddo
end subroutine
end program DAMASK_grid